Glycoside
GD129514
Name:
NoneFormula:
C19H23O8N3Smiles:
COCC(O)=NCC1OC(Cc2nc(-c3ccc(C(=O)OC)cc3)no2)C(O)C1OAglycone:
CN=C(O)COC.COC(=O)c1ccc(-c2noc(C)n2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 421.41 | Num_heavy_atoms: | 30 |
| TPSA: | 156.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD38940
Formula: C11H10O3N2
Smiles:
COC(=O)c1ccc(-c2noc(C)n2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 218.21 | Num_heavy_atoms: | 16 |
| TPSA: | 65.22 | NumAromaticRings: | 2 |
AD47644
Formula: C4H9O2N
Smiles:
CN=C(O)COC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 103.12 | Num_heavy_atoms: | 7 |
| TPSA: | 41.82 | NumAromaticRings: | 0 |
